N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide

C18H19NO2 — CID 174870889

IUPACN-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide
SMILESCCc1cccc(CC2CO2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-13-9-6-10-15(11-16-12-21-16)17(13)19-18(20)14-7-4-3-5-8-14/h3-10,16H,2,11-12H2,1H3,(H,19,20)
InChIKeyASGZRRNQZGMZSQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.44
Rot. Bonds5

About N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide

N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide (PubChem CID 174870889) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide
PubChem CID174870889
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide
SMILESCCc1cccc(CC2CO2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-13-9-6-10-15(11-16-12-21-16)17(13)19-18(20)14-7-4-3-5-8-14/h3-10,16H,2,11-12H2,1H3,(H,19,20)
InChIKeyASGZRRNQZGMZSQ-UHFFFAOYSA-N
XLogP3.44
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 16644401
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide (CID 174870889) is N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide is CCc1cccc(CC2CO2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide?
The InChIKey is ASGZRRNQZGMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-13-9-6-10-15(11-16-12-21-16)17(13)19-18(20)14-7-4-3-5-8-14/h3-10,16H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide?
N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 174870889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).